SCHEMBL9568330

SCHEMBL9568330

O=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
SRD5A2 P31213 2/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
TP53 P04637 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ESPL1 Q14674 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9568431 0.87 MAPK1 (0.60) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL10518694 0.84 TP53 (0.60) TDP1TP53MEN1KMT2AALDH1A1
SCHEMBL9190149 0.83 TDP1 (0.61) TDP1SRD5A2CA12CA9TP53
SCHEMBL1931406 0.83 ALDH1A1 (0.51) TDP1CA12CA9TP53MEN1
SCHEMBL6573092 0.82 PTGS2 (0.55) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL9568354 0.80 ALDH1A1 (0.49) CA9ALDH1A1HIF1AGAALMNA
SCHEMBL11781006 0.80 TDP1 (0.61) TDP1SRD5A2CA12CA9TP53
SCHEMBL9568408 0.80 ALDH1A1 (0.55) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL8726182 0.79 TDP1 (0.59) TDP1SRD5A2CA12CA9TP53
SCHEMBL13212250 0.78 MEN1 (0.63) TDP1SRD5A2CA12CA9MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551518-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-07-21 EP disclosed
EP-0184384-B1 SUBSTITUTED DIHYDROQUINOLONE CARBOXYLIC ACIDS, ANTI-BACTERIAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1989-08-02 EP disclosed
US-4623650-A BACTERICIDES PFIZER INC. (US) 1986-11-18 US disclosed
EP-0184384-A1 Substituted dihydroquinolone carboxylic acids, anti-bacterial compositions containing them PFIZER INC. (US) 1986-06-11 EP disclosed